Coarse-Grained Protein Dynamics Studies Using Elastic Network Models

doi:10.3390/ijms19123899

Coarse-Grained Protein Dynamics Studies Using Elastic Network Models

2018-12-05

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DOI：10.3390/ijms19123899

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Elastic networks have been used as simple models of proteins to study their slow structural dynamics. They consist of point-like particles connected by linear Hookean springs and hence are convenient for linear normal mode analysis around a given reference structure. Furthermore, dynamic simulations using these models can provide new insights. As the computational cost associated with these models is considerably lower compared to that of all-atom models, they are also convenient for comparative studies between multiple protein structures. In this review, we introduce examples of coarse-grained molecular dynamics studies using elastic network models and their derivatives, focusing on the nonlinear phenomena, and discuss their applicability to large-scale macromolecular assemblies.

Coarse-Grained Protein Dynamics Studies Using Elastic Network Models

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